(4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone

C28H36ClN3O — CID 21133909

IUPAC(4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone
SMILESCCN(CC)CCCn1ccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c(Cl)cc21
InChIInChI=1S/C28H36ClN3O/c1-3-30(4-2)14-8-15-31-18-13-24-20-25(26(29)21-27(24)31)28(33)32-16-11-23(12-17-32)19-22-9-6-5-7-10-22/h5-7,9-10,13,18,20-21,23H,3-4,8,11-12,14-17,19H2,1-2H3
InChIKeyDBIUSEDYAXOJSH-UHFFFAOYSA-N
MW466.07 g/mol
LogP6.12
Rot. Bonds9

About (4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone

(4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone (PubChem CID 21133909) has the molecular formula C28H36ClN3O and a molecular weight of 466.07 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone
PubChem CID21133909
Molecular FormulaC28H36ClN3O
Molecular Weight466.07 g/mol
Exact Mass465.25
IUPAC Name(4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone
SMILESCCN(CC)CCCn1ccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c(Cl)cc21
InChIInChI=1S/C28H36ClN3O/c1-3-30(4-2)14-8-15-31-18-13-24-20-25(26(29)21-27(24)31)28(33)32-16-11-23(12-17-32)19-22-9-6-5-7-10-22/h5-7,9-10,13,18,20-21,23H,3-4,8,11-12,14-17,19H2,1-2H3
InChIKeyDBIUSEDYAXOJSH-UHFFFAOYSA-N
XLogP6.12
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.07
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone with MolForge

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Related Compounds

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CID 9871074
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N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1-methyl-1H-indole-3-carboxamide
CID 11168014
N-(3,4-dichlorophenyl)-1-methylindole-5-carboxamide
CID 77844717
1-(2-cyclohexylethyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 10094201
N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2,3-dimethylbenzamide
CID 10648029
1-(3-cyclohexylpropyl)-N-(3,5-dichloro-4-pyridinyl)-3-methylindole-6-carboxamide
CID 22663341
Cedirogant
CID 124123797
[4-(3-chlorophenyl)piperazin-1-yl](5-methyl-1H-indol-2-yl)methanone
CID 3549432
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 9935015
2-(6-chloro-5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 10050372
9-Ethyl-9H-carbazole-3-carboxylic acid (2-pyridin-4-yl-ethyl)-amide
CID 10958843

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone (CID 21133909) is (4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone is CCN(CC)CCCn1ccc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c(Cl)cc21.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone?
The InChIKey is DBIUSEDYAXOJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36ClN3O/c1-3-30(4-2)14-8-15-31-18-13-24-20-25(26(29)21-27(24)31)28(33)32-16-11-23(12-17-32)19-22-9-6-5-7-10-22/h5-7,9-10,13,18,20-21,23H,3-4,8,11-12,14-17,19H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone?
(4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone has a molecular weight of 466.07 g/mol, XLogP of 6.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[6-chloro-1-[3-(diethylamino)propyl]indol-5-yl]methanone is sourced from PubChem (CID 21133909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).